# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07058368
_cell_length_b   10.27173745
_cell_length_c   45.63403516
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe132
_cell_volume   3479.86498734
_cell_formula_units_Z   132
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.269215  0.120503  0.313845  1
  Fe  Fe2  1  0.769215  0.120503  0.313845  1
  Fe  Fe3  1  0.704871  0.491735  0.299965  1
  Fe  Fe4  1  0.133653  0.849150  0.288101  1
  Fe  Fe5  1  0.204871  0.491735  0.299965  1
  Fe  Fe6  1  0.633653  0.849150  0.288101  1
  Fe  Fe7  1  0.954871  0.991735  0.299965  1
  Fe  Fe8  1  0.454871  0.991735  0.299965  1
  Fe  Fe9  1  0.383653  0.349150  0.288101  1
  Fe  Fe10  1  0.519215  0.620503  0.313845  1
  Fe  Fe11  1  0.883653  0.349150  0.288101  1
  Fe  Fe12  1  0.019215  0.620503  0.313845  1
  Fe  Fe13  1  0.975266  0.032719  0.353364  1
  Fe  Fe14  1  0.475266  0.032719  0.353364  1
  Fe  Fe15  1  0.406564  0.395265  0.340615  1
  Fe  Fe16  1  0.839236  0.760570  0.325653  1
  Fe  Fe17  1  0.906564  0.395265  0.340615  1
  Fe  Fe18  1  0.339236  0.760570  0.325653  1
  Fe  Fe19  1  0.656564  0.895265  0.340615  1
  Fe  Fe20  1  0.156564  0.895265  0.340615  1
  Fe  Fe21  1  0.089236  0.260570  0.325653  1
  Fe  Fe22  1  0.225266  0.532719  0.353364  1
  Fe  Fe23  1  0.589236  0.260570  0.325653  1
  Fe  Fe24  1  0.725266  0.532719  0.353364  1
  Fe  Fe25  1  0.679328  0.940968  0.393621  1
  Fe  Fe26  1  0.179328  0.940968  0.393621  1
  Fe  Fe27  1  0.111156  0.304584  0.379758  1
  Fe  Fe28  1  0.542978  0.668182  0.366783  1
  Fe  Fe29  1  0.611156  0.304584  0.379758  1
  Fe  Fe30  1  0.042978  0.668182  0.366783  1
  Fe  Fe31  1  0.361156  0.804584  0.379758  1
  Fe  Fe32  1  0.861156  0.804584  0.379758  1
  Fe  Fe33  1  0.792978  0.168182  0.366783  1
  Fe  Fe34  1  0.929328  0.440968  0.393621  1
  Fe  Fe35  1  0.292978  0.168182  0.366783  1
  Fe  Fe36  1  0.429328  0.440968  0.393621  1
  Fe  Fe37  1  0.383722  0.849886  0.433388  1
  Fe  Fe38  1  0.883722  0.849886  0.433388  1
  Fe  Fe39  1  0.815567  0.213532  0.420147  1
  Fe  Fe40  1  0.247573  0.577501  0.406768  1
  Fe  Fe41  1  0.315567  0.213532  0.420147  1
  Fe  Fe42  1  0.747573  0.577501  0.406768  1
  Fe  Fe43  1  0.065567  0.713532  0.420147  1
  Fe  Fe44  1  0.565567  0.713532  0.420147  1
  Fe  Fe45  1  0.497573  0.077501  0.406768  1
  Fe  Fe46  1  0.633722  0.349886  0.433388  1
  Fe  Fe47  1  0.997573  0.077501  0.406768  1
  Fe  Fe48  1  0.133722  0.349886  0.433388  1
  Fe  Fe49  1  0.088120  0.758809  0.473546  1
  Fe  Fe50  1  0.588120  0.758809  0.473546  1
  Fe  Fe51  1  0.520031  0.122587  0.460191  1
  Fe  Fe52  1  0.951863  0.486209  0.446896  1
  Fe  Fe53  1  0.020031  0.122587  0.460191  1
  Fe  Fe54  1  0.451863  0.486209  0.446896  1
  Fe  Fe55  1  0.770031  0.622587  0.460191  1
  Fe  Fe56  1  0.270031  0.622587  0.460191  1
  Fe  Fe57  1  0.201863  0.986209  0.446896  1
  Fe  Fe58  1  0.338120  0.258809  0.473546  1
  Fe  Fe59  1  0.701863  0.986209  0.446896  1
  Fe  Fe60  1  0.838120  0.258809  0.473546  1
  Fe  Fe61  1  0.792534  0.667765  0.513628  1
  Fe  Fe62  1  0.292534  0.667765  0.513628  1
  Fe  Fe63  1  0.224391  0.031436  0.500249  1
  Fe  Fe64  1  0.656248  0.395108  0.486870  1
  Fe  Fe65  1  0.724391  0.031436  0.500249  1
  Fe  Fe66  1  0.156248  0.395108  0.486870  1
  Fe  Fe67  1  0.474391  0.531436  0.500249  1
  Fe  Fe68  1  0.974391  0.531436  0.500249  1
  Fe  Fe69  1  0.906248  0.895108  0.486870  1
  Fe  Fe70  1  0.042534  0.167765  0.513628  1
  Fe  Fe71  1  0.406248  0.895108  0.486870  1
  Fe  Fe72  1  0.542534  0.167765  0.513628  1
  Fe  Fe73  1  0.496919  0.576663  0.553603  1
  Fe  Fe74  1  0.996919  0.576663  0.553603  1
  Fe  Fe75  1  0.928751  0.940285  0.540308  1
  Fe  Fe76  1  0.360662  0.304064  0.526953  1
  Fe  Fe77  1  0.428751  0.940285  0.540308  1
  Fe  Fe78  1  0.860662  0.304064  0.526953  1
  Fe  Fe79  1  0.178751  0.440285  0.540308  1
  Fe  Fe80  1  0.678751  0.440285  0.540308  1
  Fe  Fe81  1  0.610662  0.804064  0.526953  1
  Fe  Fe82  1  0.746919  0.076663  0.553603  1
  Fe  Fe83  1  0.110662  0.804064  0.526953  1
  Fe  Fe84  1  0.246919  0.076663  0.553603  1
  Fe  Fe85  1  0.201209  0.485372  0.593730  1
  Fe  Fe86  1  0.701209  0.485372  0.593730  1
  Fe  Fe87  1  0.633215  0.849340  0.580352  1
  Fe  Fe88  1  0.065060  0.212987  0.567111  1
  Fe  Fe89  1  0.133215  0.849340  0.580352  1
  Fe  Fe90  1  0.565060  0.212987  0.567111  1
  Fe  Fe91  1  0.883215  0.349340  0.580352  1
  Fe  Fe92  1  0.383215  0.349340  0.580352  1
  Fe  Fe93  1  0.315060  0.712987  0.567111  1
  Fe  Fe94  1  0.451209  0.985372  0.593730  1
  Fe  Fe95  1  0.815060  0.712987  0.567111  1
  Fe  Fe96  1  0.951209  0.985372  0.593730  1
  Fe  Fe97  1  0.905804  0.394691  0.633715  1
  Fe  Fe98  1  0.405804  0.394691  0.633715  1
  Fe  Fe99  1  0.337626  0.758289  0.620741  1
  Fe  Fe100  1  0.769454  0.121904  0.606878  1
  Fe  Fe101  1  0.837626  0.758289  0.620741  1
  Fe  Fe102  1  0.269454  0.121904  0.606878  1
  Fe  Fe103  1  0.587626  0.258289  0.620741  1
  Fe  Fe104  1  0.087626  0.258289  0.620741  1
  Fe  Fe105  1  0.019454  0.621904  0.606878  1
  Fe  Fe106  1  0.155804  0.894691  0.633715  1
  Fe  Fe107  1  0.519454  0.621904  0.606878  1
  Fe  Fe108  1  0.655804  0.894691  0.633715  1
  Fe  Fe109  1  0.609546  0.302303  0.674846  1
  Fe  Fe110  1  0.109546  0.302303  0.674846  1
  Fe  Fe111  1  0.042218  0.667608  0.659884  1
  Fe  Fe112  1  0.473516  0.030153  0.647134  1
  Fe  Fe113  1  0.542218  0.667608  0.659884  1
  Fe  Fe114  1  0.973516  0.030153  0.647134  1
  Fe  Fe115  1  0.292218  0.167608  0.659884  1
  Fe  Fe116  1  0.792218  0.167608  0.659884  1
  Fe  Fe117  1  0.723516  0.530153  0.647134  1
  Fe  Fe118  1  0.859546  0.802303  0.674846  1
  Fe  Fe119  1  0.223516  0.530153  0.647134  1
  Fe  Fe120  1  0.359546  0.802303  0.674846  1
  Fe  Fe121  1  0.315129  0.213723  0.712398  1
  Fe  Fe122  1  0.815129  0.213723  0.712398  1
  Fe  Fe123  1  0.743911  0.571138  0.700534  1
  Fe  Fe124  1  0.179566  0.942370  0.686654  1
  Fe  Fe125  1  0.243911  0.571138  0.700534  1
  Fe  Fe126  1  0.679566  0.942370  0.686654  1
  Fe  Fe127  1  0.993911  0.071138  0.700534  1
  Fe  Fe128  1  0.493911  0.071138  0.700534  1
  Fe  Fe129  1  0.429566  0.442370  0.686654  1
  Fe  Fe130  1  0.565129  0.713723  0.712398  1
  Fe  Fe131  1  0.929566  0.442370  0.686654  1
  Fe  Fe132  1  0.065129  0.713723  0.712398  1
